SCHEMBL1324879

SCHEMBL1324879

CCCCCOC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.42
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6739719 0.94 DPP8 (0.40) EPHX2NPSR1MEN1ALDH1A1HTT
SCHEMBL482480 0.87 ALDH1A1 (0.41) EPHX2NPSR1MEN1ALDH1A1HTT
Ammonia Solution, Strong SCHEMBL11635039 0.85 ALDH1A1 (0.41) EPHX2NPSR1MEN1ALDH1A1HTT
SCHEMBL5614350 0.81 DPP8 (0.41) EPHX2FAAHCNR1CNR2DPP8
SCHEMBL5164654 0.80 ALDH1A1 (0.35) EPHX2MEN1ALDH1A1HTTKMT2A
SCHEMBL31732782 0.79 GRIN2D (0.45) EPHX2DPP8DPP9
Bromide SCHEMBL11515811 0.78 DNM1 (0.47) MEN1ALDH1A1HTTKMT2ACNR1
SCHEMBL16682526 0.78 EPHX2 (0.44) EPHX2NPSR1MEN1ALDH1A1HTT
SCHEMBL6739715 0.77 ALDH1A1 (0.39) NPSR1MEN1ALDH1A1HTTKMT2A
SCHEMBL270387 0.75 NPSR1 (0.43) EPHX2NPSR1MEN1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358574-B1 PROCESS FOR THE PREPARATION OF ADAMANTANE-1 DERIVATIVES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-17 EP claimed
EP-0358574-A1 Process for the preparation of adamantane-1 derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1990-03-14 EP claimed
EP-2318355-B1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2018-09-12 EP disclosed
US-8309597-B2 1,1′-diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2011-11-03 US disclosed
EP-2318355-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE Boehringer Ingelheim International GmbH (DE) 2011-05-11 EP disclosed
WO-2010010174-A1 1,1'-DIADAMANTYL CARBOXYLIC ACIDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
EP-0358574-B1 PROCESS FOR THE PREPARATION OF ADAMANTANE-1 DERIVATIVES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-17 EP disclosed
US-5015758-A Process for the preparation of 1-adamantane derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-05-14 US disclosed
EP-0358574-A1 Process for the preparation of adamantane-1 derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1990-03-14 EP disclosed
EP-0358574-A1 Process for the preparation of adamantane-1 derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1990-03-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269736-A1 1,1'-Diadamantyl carboxylic acids, medicaments containing such compounds and their use HSD11B1, HSD17B1, HSD3B1 EPHX2 1205/4885NPSR1 3019/4885MEN1 1772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.